4-[(4-methylphenyl)methyl]-1-[2-(4-oxidanylphenoxy)ethyl]piperidin-1-ium-4-ol chloride

Systemtic Name: 4-[(4-methylphenyl)methyl]-1-[2-(4-oxidanylphenoxy)ethyl]piperidin-1-ium-4-ol chloride Openeye Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-(p-tolylmethyl)piperidin-1-ium-4-ol chloride CAS Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidin-1-iumol chloride IUPAC Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-1-ium-4-ol chloride Traditional Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-(4-methylbenzyl)piperidin-1-ium-4-ol chloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2(CC[NH+](CC2)CCOC3=CC=C(C=C3)O)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2(CC[NH+](CC2)CCOC3=CC=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H